Physics – Condensed Matter – Statistical Mechanics
Scientific paper
2003-05-22
Phys. Rev. E 69, 061924 (2004).
Physics
Condensed Matter
Statistical Mechanics
11 pages, 10 figures; some rearrangement of introduction and discussion sections, streamlining of formalism and general compre
Scientific paper
10.1103/PhysRevE.69.061924
We investigate the aggregation of amphiphilic molecules by adapting the two-state Muller-Lee-Graziano model for water, in which a solvent-induced hydrophobic interaction is included implicitly. We study the formation of various types of micelle as a function of the distribution of hydrophobic regions at the molecular surface. Successive substitution of non-polar surfaces by polar ones demonstrates the influence of hydrophobicity on the upper and lower critical solution temperatures. Aggregates of lipid molecules, described by a refinement of the model in which a hydrophobic tail of variable length interacts with different numbers of water molecules, are stabilized as the length of the tail increases. We demonstrate that the essential features of micelle formation are primarily solvent-induced, and are explained within a model which focuses only on the alteration of water structure in the vicinity of the hydrophobic surface regions of amphiphiles in solution.
Los Rios Paolo de
Moelbert Susanne
Normand Bruce
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